Cas no 1017789-51-3 (2-(3,5-dinitrophenyl)ethanamine;hydrochloride)

2-(3,5-dinitrophenyl)ethanamine;hydrochloride structure
1017789-51-3 structure
Product Name:2-(3,5-dinitrophenyl)ethanamine;hydrochloride
CAS No:1017789-51-3
MF:C8H10ClN3O4
MW:247.635700702667
CID:1134766
PubChem ID:53487160
Update Time:2025-04-20

2-(3,5-dinitrophenyl)ethanamine;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2-(3,5-dinitrophenyl)ethanamine,hydrochloride
    • 2-(3,5-dinitrophenyl)ethanamine
    • hydrochloride
    • DB-301751
    • 1017789-51-3
    • DTXSID50705290
    • 2-(3,5-Dinitrophenyl)ethan-1-amine--hydrogen chloride (1/1)
    • 2-(3,5-Dinitrophenyl)ethylamine HCl
    • 2-(3,5-dinitrophenyl)ethanamine;hydrochloride
    • Inchi: 1S/C8H9N3O4.ClH/c9-2-1-6-3-7(10(12)13)5-8(4-6)11(14)15;/h3-5H,1-2,9H2;1H
    • InChI Key: IQDURQRPFUTTBY-UHFFFAOYSA-N
    • SMILES: Cl.[O-][N+](C1C=C(C=C(C=1)CCN)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 211.059306g/mol
  • Monoisotopic Mass: 211.059306g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 225
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 211.17g/mol
  • XLogP3: 0.9
  • Topological Polar Surface Area: 118?2
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